tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate

C16H25FN4O2 — CID 168888348

IUPACtert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(N)c(F)c2)CC1(C)C
InChIInChI=1S/C16H25FN4O2/c1-15(2,3)23-14(22)21-7-6-20(10-16(21,4)5)11-8-12(17)13(18)19-9-11/h8-9H,6-7,10H2,1-5H3,(H2,18,19)
InChIKeyVTZMCUIODVCJQO-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.64
Rot. Bonds1

About tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate

tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate (PubChem CID 168888348) has the molecular formula C16H25FN4O2 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate
PubChem CID168888348
Molecular FormulaC16H25FN4O2
Molecular Weight324.40 g/mol
Exact Mass324.20
IUPAC Nametert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(N)c(F)c2)CC1(C)C
InChIInChI=1S/C16H25FN4O2/c1-15(2,3)23-14(22)21-7-6-20(10-16(21,4)5)11-8-12(17)13(18)19-9-11/h8-9H,6-7,10H2,1-5H3,(H2,18,19)
InChIKeyVTZMCUIODVCJQO-UHFFFAOYSA-N
XLogP2.64
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[4-(2-cyanopropan-2-yl)-2-pyridinyl]-2,2-dimethylpiperazine-1-carboxylate
CID 163389446
tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 176665673
tert-butyl 4-[5-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 166021875
tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170340824
tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 168888213
tert-butyl 4-(6-ethoxycarbonyl-3-methyl-2-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate
CID 134296931
tert-butyl 4-[2-(3-methoxypropoxy)phenyl]-2,2-dimethylpiperazine-1-carboxylate
CID 66645627
tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 138674727
tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate
CID 86683762
tert-butyl 7-(3-fluoro-5-nitro-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 166472130
tert-butyl 4-(2,6-difluorophenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate
CID 66645678
tert-butyl 4-(4-amino-3-fluorophenyl)piperazine-1-carboxylate;tert-butyl 4-(3-fluoro-4-nitrophenyl)piperazine-1-carboxylate;2,4-difluoro-1-nitrobenzene
CID 159928481

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate (CID 168888348) is tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cnc(N)c(F)c2)CC1(C)C.
What is the InChIKey of tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate?
The InChIKey is VTZMCUIODVCJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O2/c1-15(2,3)23-14(22)21-7-6-20(10-16(21,4)5)11-8-12(17)13(18)19-9-11/h8-9H,6-7,10H2,1-5H3,(H2,18,19).
What are the key properties of tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate?
tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate has a molecular weight of 324.40 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 168888348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).